| SpectraBase Spectrum ID |
GfXB3d4RVdV |
| Name |
4-(1-Benzyl-4-keto-3-piperidyl)-3,6-dihydro-2H-pyridine-1-carbonyl chloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.129155622 u |
| Formula |
C18H21ClN2O2 |
| InChI |
InChI=1S/C18H21ClN2O2/c19-18(23)21-10-6-15(7-11-21)16-13-20(9-8-17(16)22)12-14-4-2-1-3-5-14/h1-6,16H,7-13H2 |
| InChIKey |
IHEIXZOFXNNYSH-UHFFFAOYSA-N |
| Molecular Weight |
332.831 g/mol |
| SMILES |
C(N1CC=C(C2C(CCN(C2)CC2=CC=CC=C2)=O)CC1)(=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874041 |
